N-(3-aminooxypropyl)hexadecanamide

C19H40N2O2 — CID 88573336

IUPACN-(3-aminooxypropyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCCON
InChIInChI=1S/C19H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)21-17-15-18-23-20/h2-18,20H2,1H3,(H,21,22)
InChIKeyDUIVYBOYFGYKTF-UHFFFAOYSA-N
MW328.54 g/mol
LogP4.86
Rot. Bonds18

About N-(3-aminooxypropyl)hexadecanamide

N-(3-aminooxypropyl)hexadecanamide (PubChem CID 88573336) has the molecular formula C19H40N2O2 and a molecular weight of 328.54 g/mol. Its IUPAC name is N-(3-aminooxypropyl)hexadecanamide.

Molecular Properties

Compound NameN-(3-aminooxypropyl)hexadecanamide
PubChem CID88573336
Molecular FormulaC19H40N2O2
Molecular Weight328.54 g/mol
Exact Mass328.31
IUPAC NameN-(3-aminooxypropyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCCON
InChIInChI=1S/C19H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)21-17-15-18-23-20/h2-18,20H2,1H3,(H,21,22)
InChIKeyDUIVYBOYFGYKTF-UHFFFAOYSA-N
XLogP4.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of N-(3-aminooxypropyl)hexadecanamide?
The IUPAC name of N-(3-aminooxypropyl)hexadecanamide (CID 88573336) is N-(3-aminooxypropyl)hexadecanamide.
What is the SMILES notation for N-(3-aminooxypropyl)hexadecanamide?
The canonical SMILES for N-(3-aminooxypropyl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCCON.
What is the InChIKey of N-(3-aminooxypropyl)hexadecanamide?
The InChIKey is DUIVYBOYFGYKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)21-17-15-18-23-20/h2-18,20H2,1H3,(H,21,22).
What are the key properties of N-(3-aminooxypropyl)hexadecanamide?
N-(3-aminooxypropyl)hexadecanamide has a molecular weight of 328.54 g/mol, XLogP of 4.86, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminooxypropyl)hexadecanamide is sourced from PubChem (CID 88573336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).